1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-[(3-methoxyphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-[(3-methoxyphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(3-methoxyanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-mercapto-3-(3-methoxyanilino)-2-propen-1-one IUPAC Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(3-methoxyanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-ethylphenyl)-3-(m-anisidino)-3-mercapto-2-(3-methylolpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC(=C3)CO

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C24H24N2O3S/c1-3-17-9-11-19(12-10-17)23(28)22(26-13-5-6-18(15-26)16-27)24(30)25-20-7-4-8-21(14-20)29-2/h4-15,27H,3,16H2,1-2H3,(H-,25,28,30)/p+1